![3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid structure](/static/products/1005/1005040-08-3.webp)
3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid
TL;DR: 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid (CAS 1005040-08-3) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid
Also Known As: 3R-0196, 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid, 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid, 4H-Cyclopent[d]isoxazole-5-carboxylic acid, 3a,5,6,6a-tetrahydro-3-phenyl-, 2-phenyl-4-oxa-3-azabicyclo[3.3.0]oct-2-ene-7-carboxylic Acid
Technical Specifications
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.08954 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 Da |
| Heavy Atoms | 17 |
| Complexity | 347.0 |
| SMILES | C1C(CC2C1C(=NO2)C3=CC=CC=C3)C(=O)O |
| InChIKey | VSFAUFULKMAMRL-UHFFFAOYSA-N |
Chemical Property Profile of 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid
Property Insights of 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 58.9 Ų, 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid?
The CAS number of 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid is 1005040-08-3.
What is the molecular formula of 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid?
The molecular formula of 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid is C13H13NO3.
What is the molecular weight of 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid?
The molecular weight of 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid is 231.08954 g/mol.
Where can I buy 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid?
You can request a quote for 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.